BDBM50129414 CHEMBL3628130

SMILES CC(=O)O[C@@H]1[C@@H](COC(=O)\C=C\c2ccc(O)cc2)O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)[C@H](OC(=O)\C=C\c2ccc(O)cc2)[C@H]1OC(C)=O

InChI Key InChIKey=IFLHDGGEJKVLAF-UHFFFAOYSA-N

Data  5 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50129414   

TargetCarbonic anhydrase 7(Human)
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM50129414(CHEMBL3628130)
Affinity DataKi:  27nM ΔG°:  -10.3kcal/moleT: 2°CAssay Description:Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2016
Entry Details Article
PubMed
TargetCarbonic anhydrase 4(Human)
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM50129414(CHEMBL3628130)
Affinity DataKi:  62nM ΔG°:  -9.83kcal/moleT: 2°CAssay Description:Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2016
Entry Details Article
PubMed
TargetCarbonic anhydrase 12(Human)
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM50129414(CHEMBL3628130)
Affinity DataKi:  400nM ΔG°:  -8.72kcal/moleT: 2°CAssay Description:Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration ass...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2016
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM50129414(CHEMBL3628130)
Affinity DataKi:  6.86E+3nM ΔG°:  -7.04kcal/moleT: 2°CAssay Description:Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2016
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM50129414(CHEMBL3628130)
Affinity DataKi: >1.00E+4nM ΔG°: >-6.82kcal/moleT: 2°CAssay Description:Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2016
Entry Details Article
PubMed